[5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [5-azanyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone IUPAC Name: [5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone Formula: C14H15F3N4O MolecularWeight: 312.29031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C(F)(F)F)N

InChI

InChI=1S/C14H15F3N4O/c1-13(2,3)9-6-4-8(5-7-9)10(22)21-12(18)19-11(20-21)14(15,16)17/h4-7H,1-3H3,(H2,18,19,20)